6-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]-2-phenyl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene

C43H30N4 — CID 142370322

IUPAC6-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]-2-phenyl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene
SMILESC=Cc1c(/C=C\C)n(-c2ccccc2)c2ccc(-c3ccc4c(c3)-c3nccc5c3c(nc3ccccc35)N4c3ccccc3)cc12
InChIInChI=1S/C43H30N4/c1-3-13-38-32(4-2)35-26-28(20-22-39(35)46(38)30-14-7-5-8-15-30)29-21-23-40-36(27-29)42-41-34(24-25-44-42)33-18-11-12-19-37(33)45-43(41)47(40)31-16-9-6-10-17-31/h3-27H,2H2,1H3/b13-3-
InChIKeyPNHCUXMEIFGWRZ-DXNYSGJVSA-N
MW602.74 g/mol
LogP11.52
Rot. Bonds5

About 6-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]-2-phenyl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene

6-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]-2-phenyl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene (PubChem CID 142370322) has the molecular formula C43H30N4 and a molecular weight of 602.74 g/mol. Its IUPAC name is 6-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]-2-phenyl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene.

Molecular Properties

Compound Name6-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]-2-phenyl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene
PubChem CID142370322
Molecular FormulaC43H30N4
Molecular Weight602.74 g/mol
Exact Mass602.25
IUPAC Name6-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]-2-phenyl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene
SMILESC=Cc1c(/C=C\C)n(-c2ccccc2)c2ccc(-c3ccc4c(c3)-c3nccc5c3c(nc3ccccc35)N4c3ccccc3)cc12
InChIInChI=1S/C43H30N4/c1-3-13-38-32(4-2)35-26-28(20-22-39(35)46(38)30-14-7-5-8-15-30)29-21-23-40-36(27-29)42-41-34(24-25-44-42)33-18-11-12-19-37(33)45-43(41)47(40)31-16-9-6-10-17-31/h3-27H,2H2,1H3/b13-3-
InChIKeyPNHCUXMEIFGWRZ-DXNYSGJVSA-N
XLogP11.52
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.74
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]-2-phenyl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene with MolForge

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Related Compounds

N-[4-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]phenyl]phenyl]-N,4-diphenylaniline
CID 170106811
2-[4-(4-carbazol-9-ylphenyl)phenyl]-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene
CID 134604653
5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole
CID 144919540
8-[4-[4-[3,4-bis(ethenyl)-2,5-bis[(Z)-prop-1-enyl]pyrrol-1-yl]phenyl]-6-phenylpyrimidin-2-yl]-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2,4,6,9,11,13(21),14,16,18-decaene
CID 142370166
1-carbazol-9-yl-6-[4-[9-[1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-ethenyl-2-[(Z)-prop-1-enyl]indol-5-yl]carbazol-4-yl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
CID 167077371
2-phenyl-6-(9-phenylcarbazol-3-yl)-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9(21),12,14,16,18-nonaene
CID 142370273
9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole
CID 174303299
2-fluoranthen-3-yl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene
CID 134604638
3-ethenyl-10-phenyl-1-[5-(4-phenylquinazolin-2-yl)-2-pyridinyl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 139430719
N-[4-[4-(N-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-9-phenylcarbazol-3-amine
CID 130309344
3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole
CID 177063540
9-(3,5-dibromophenyl)-3-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]carbazole
CID 145163222

Frequently Asked Questions

What is the IUPAC name of 6-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]-2-phenyl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene?
The IUPAC name of 6-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]-2-phenyl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene (CID 142370322) is 6-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]-2-phenyl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene.
What is the SMILES notation for 6-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]-2-phenyl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene?
The canonical SMILES for 6-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]-2-phenyl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene is C=Cc1c(/C=C\C)n(-c2ccccc2)c2ccc(-c3ccc4c(c3)-c3nccc5c3c(nc3ccccc35)N4c3ccccc3)cc12.
What is the InChIKey of 6-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]-2-phenyl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene?
The InChIKey is PNHCUXMEIFGWRZ-DXNYSGJVSA-N. The full InChI is InChI=1S/C43H30N4/c1-3-13-38-32(4-2)35-26-28(20-22-39(35)46(38)30-14-7-5-8-15-30)29-21-23-40-36(27-29)42-41-34(24-25-44-42)33-18-11-12-19-37(33)45-43(41)47(40)31-16-9-6-10-17-31/h3-27H,2H2,1H3/b13-3-.
What are the key properties of 6-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]-2-phenyl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene?
6-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]-2-phenyl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene has a molecular weight of 602.74 g/mol, XLogP of 11.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]-2-phenyl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene is sourced from PubChem (CID 142370322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).